5-chloro-3-[(1S)-2-hydroxy-1-(methylamino)ethyl]-1H-pyridin-2-one

C8H11ClN2O2 — CID 131029233

IUPAC5-chloro-3-[(1S)-2-hydroxy-1-(methylamino)ethyl]-1H-pyridin-2-one
SMILESCN[C@H](CO)c1cc(Cl)c[nH]c1=O
InChIInChI=1S/C8H11ClN2O2/c1-10-7(4-12)6-2-5(9)3-11-8(6)13/h2-3,7,10,12H,4H2,1H3,(H,11,13)/t7-/m1/s1
InChIKeyVTZVRRIJBXMBCT-SSDOTTSWSA-N
MW202.64 g/mol
LogP0.28
Rot. Bonds3

About 5-chloro-3-[(1S)-2-hydroxy-1-(methylamino)ethyl]-1H-pyridin-2-one

5-chloro-3-[(1S)-2-hydroxy-1-(methylamino)ethyl]-1H-pyridin-2-one (PubChem CID 131029233) has the molecular formula C8H11ClN2O2 and a molecular weight of 202.64 g/mol. Its IUPAC name is 5-chloro-3-[(1S)-2-hydroxy-1-(methylamino)ethyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-chloro-3-[(1S)-2-hydroxy-1-(methylamino)ethyl]-1H-pyridin-2-one
PubChem CID131029233
Molecular FormulaC8H11ClN2O2
Molecular Weight202.64 g/mol
Exact Mass202.05
IUPAC Name5-chloro-3-[(1S)-2-hydroxy-1-(methylamino)ethyl]-1H-pyridin-2-one
SMILESCN[C@H](CO)c1cc(Cl)c[nH]c1=O
InChIInChI=1S/C8H11ClN2O2/c1-10-7(4-12)6-2-5(9)3-11-8(6)13/h2-3,7,10,12H,4H2,1H3,(H,11,13)/t7-/m1/s1
InChIKeyVTZVRRIJBXMBCT-SSDOTTSWSA-N
XLogP0.28
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.64
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(1S)-2-hydroxy-1-(methylamino)ethyl]-1H-pyridin-2-one
CID 131031761
3-[(1R)-1-amino-2,2-dimethylpropyl]-5-chloro-1H-pyridin-2-one
CID 130649424
3-(5-chloro-2-oxo-1H-pyridin-3-yl)-2,3-dihydroxypropanenitrile
CID 171869996
5-chloro-3-(3-hydroxyprop-1-enyl)-1H-pyridin-2-one
CID 169453100
N-butan-2-yl-5-chloro-2-oxo-1H-pyridine-3-carboxamide
CID 110848497
(2S)-2-(2-amino-5-bromo-4-chlorophenyl)-2-(methylamino)ethanol
CID 130700389
5-chloro-2-oxo-1H-pyridine-3-carbonyl chloride
CID 45081691
4-chloro-3-[(1S)-2-hydroxy-1-(methylamino)ethyl]benzonitrile
CID 130665410
3-(2,5-dichlorophenyl)-3-(methylamino)propan-1-ol
CID 64813241
2-(3-chloro-2-fluorophenyl)-2-(methylamino)ethanol
CID 112704196
2-(3-bromo-2-chlorophenyl)-2-(methylamino)ethanol
CID 130041390
(2R)-2-(2-chloro-3-fluorophenyl)-2-(methylamino)ethanol
CID 130642132

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[(1S)-2-hydroxy-1-(methylamino)ethyl]-1H-pyridin-2-one?
The IUPAC name of 5-chloro-3-[(1S)-2-hydroxy-1-(methylamino)ethyl]-1H-pyridin-2-one (CID 131029233) is 5-chloro-3-[(1S)-2-hydroxy-1-(methylamino)ethyl]-1H-pyridin-2-one.
What is the SMILES notation for 5-chloro-3-[(1S)-2-hydroxy-1-(methylamino)ethyl]-1H-pyridin-2-one?
The canonical SMILES for 5-chloro-3-[(1S)-2-hydroxy-1-(methylamino)ethyl]-1H-pyridin-2-one is CN[C@H](CO)c1cc(Cl)c[nH]c1=O.
What is the InChIKey of 5-chloro-3-[(1S)-2-hydroxy-1-(methylamino)ethyl]-1H-pyridin-2-one?
The InChIKey is VTZVRRIJBXMBCT-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H11ClN2O2/c1-10-7(4-12)6-2-5(9)3-11-8(6)13/h2-3,7,10,12H,4H2,1H3,(H,11,13)/t7-/m1/s1.
What are the key properties of 5-chloro-3-[(1S)-2-hydroxy-1-(methylamino)ethyl]-1H-pyridin-2-one?
5-chloro-3-[(1S)-2-hydroxy-1-(methylamino)ethyl]-1H-pyridin-2-one has a molecular weight of 202.64 g/mol, XLogP of 0.28, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[(1S)-2-hydroxy-1-(methylamino)ethyl]-1H-pyridin-2-one is sourced from PubChem (CID 131029233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).